1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methoxy]-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methoxy]-3-phenyl-indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methoxy]-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methoxy]-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methoxy]-3-phenylindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-p-anisyloxy-3-phenyl-indole-2-carboxylic acid Formula: C31H24ClNO6 MolecularWeight: 541.97836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5Cl)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5Cl)OCO6

InChI

InChI=1S/C31H24ClNO6/c1-36-22-9-7-19(8-10-22)17-37-23-11-12-26-24(14-23)29(20-5-3-2-4-6-20)30(31(34)35)33(26)16-21-13-27-28(15-25(21)32)39-18-38-27/h2-15H,16-18H2,1H3,(H,34,35)